SCHEMBL6986980

SCHEMBL6986980

CC(Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C(=O)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.57
ERBB2 P04626 8/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.48
MKNK2 Q9HBH9 5/20 0.47
MKNK1 Q9BUB5 2/20 0.47
ERBB4 Q15303 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SOS1 Q07889 1/20 0.43
JAK3 P52333 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6995214 0.93 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997525 0.91 EGFR (0.67) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994929 0.91 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997165 0.90 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8488608 0.90 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8486621 0.89 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316967 0.86 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990908 0.84 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999556 0.84 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999525 0.84 EGFR (0.57) EGFRERBB2HPGDHTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed